#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp n ILE 2 N 0.00 1.00 -4.11 3.17 5.41 -1.26 -5.04 119.36 118.53 2kkp n ILE 2 Ca 0.00 -4.79 -0.33 0.00 1.00 0.00 0.00 62.75 58.63 2kkp n ILE 2 Cb 0.00 -1.46 -0.16 0.00 -0.71 0.00 0.00 39.64 37.31 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2kkp s GLU 3 N -2.30 2.94 0.66 0.38 1.03 -1.26 -5.12 118.70 115.04 2kkp s GLU 3 Ca 0.40 -0.86 -0.14 0.00 0.03 0.00 0.00 54.97 54.40 2kkp s GLU 3 Cb 0.23 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.96 2kkp s GLU 3 CO -0.08 -0.24 1.10 -1.25 -1.33 0.00 0.00 175.26 173.46 2kkp s PRO 4 N 1.28 2.82 0.06 -4.83 0.04 -1.26 -5.07 135.00 128.03 2kkp s PRO 4 Ca 0.04 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.45 2kkp s PRO 4 Cb -0.14 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2kkp s PRO 4 CO -0.12 -1.23 -0.12 0.45 0.04 0.00 0.00 177.00 176.02 2kkp s SER 5 N -2.72 1.35 0.00 6.66 0.15 -1.26 -5.16 113.70 112.72 2kkp s SER 5 Ca 0.66 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2kkp s SER 5 Cb -0.19 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2kkp s SER 5 CO 0.43 -0.12 0.00 0.29 1.20 0.00 0.00 173.24 175.04 2kkp n LYS 6 N 1.40 3.17 -1.89 5.44 4.76 -1.26 -5.04 118.16 124.74 2kkp n LYS 6 Ca -0.22 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.82 2kkp n LYS 6 Cb 0.54 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.71 2kkp n LYS 6 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2kkp s ILE 7 N 1.34 3.29 0.67 -0.18 2.07 -1.26 -4.96 121.20 122.17 2kkp s ILE 7 Ca 0.00 0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2kkp s ILE 7 Cb 0.00 -3.56 0.11 0.00 0.13 0.00 0.00 42.46 39.14 2kkp s ILE 7 CO 0.00 -0.46 0.92 0.42 -1.91 0.00 0.00 174.94 173.90 2kkp s THR 8 N 8.84 2.14 0.29 4.00 -4.23 -1.26 -4.92 115.64 120.50 2kkp s THR 8 Ca 0.81 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2kkp s THR 8 Cb -0.19 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.44 2kkp s THR 8 CO 0.28 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 176.80 2kkp h VAL 9 N -0.26 1.22 0.00 2.29 2.07 -0.90 -2.08 116.25 118.58 2kkp h VAL 9 Ca -0.34 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2kkp h VAL 9 Cb 1.27 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2kkp h VAL 9 CO 0.40 0.27 -0.06 1.05 0.02 0.00 0.00 177.57 179.25 2kkp h GLU 10 N 0.85 0.00 0.10 1.57 4.11 -1.92 -2.10 114.58 117.19 2kkp h GLU 10 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 2kkp h GLU 10 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kkp h GLU 10 CO -0.02 0.06 -0.05 1.96 0.07 0.00 0.00 179.01 181.04 2kkp h GLN 11 N 0.00 -0.12 0.00 1.06 1.08 -1.73 -1.71 115.11 113.69 2kkp h GLN 11 Ca -0.00 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 2kkp h GLN 11 Cb 0.23 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2kkp h GLN 11 CO 0.01 0.35 -0.42 0.11 -0.95 0.00 0.00 178.83 177.94 2kkp h TRP 12 N -0.69 0.00 -0.11 2.96 5.08 -1.60 -2.99 115.95 118.60 2kkp h TRP 12 Ca -0.01 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.80 2kkp h TRP 12 Cb 0.54 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 2kkp h TRP 12 CO 0.09 0.42 -0.60 -0.07 -1.28 0.00 0.00 178.44 177.00 2kkp h LEU 13 N 0.00 0.44 -0.84 0.11 3.38 -1.45 -0.16 115.31 116.80 2kkp h LEU 13 Ca -0.00 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2kkp h LEU 13 Cb 1.28 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 2kkp h LEU 13 CO 0.05 0.94 0.53 -1.13 0.09 0.00 0.00 178.44 178.92 2kkp h ASN 14 N 0.29 0.85 -0.26 -0.43 -1.24 -1.17 0.23 115.58 113.85 2kkp h ASN 14 Ca -0.01 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2kkp h ASN 14 Cb 1.13 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 2kkp h ASN 14 CO 0.10 0.56 -0.06 0.03 -1.29 0.00 0.00 177.43 176.78 2kkp h ARG 15 N 0.99 0.51 0.35 6.67 2.47 -1.40 -2.52 114.38 121.46 2kkp h ARG 15 Ca 0.35 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2kkp h ARG 15 Cb 0.10 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2kkp h ARG 15 CO -0.15 0.72 -0.36 2.35 0.56 0.00 0.00 179.97 183.09 2kkp h TRP 16 N 0.26 -0.98 -0.49 3.04 2.91 -0.35 0.44 115.95 120.79 2kkp h TRP 16 Ca 0.07 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.16 2kkp h TRP 16 Cb 0.53 0.38 -0.05 0.00 -0.51 0.00 0.00 29.16 29.51 2kkp h TRP 16 CO 0.05 -0.51 0.18 -0.07 -1.03 0.00 0.00 178.44 177.06 2kkp h LEU 17 N -0.74 0.19 -1.34 0.65 4.07 -0.61 -1.01 115.31 116.52 2kkp h LEU 17 Ca -0.02 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 2kkp h LEU 17 Cb 0.67 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2kkp h LEU 17 CO -0.07 0.14 -0.29 0.74 -1.08 0.00 0.00 178.44 177.88 2kkp h THR 18 N 0.36 0.88 0.16 0.22 2.02 -1.26 -2.76 112.91 112.53 2kkp h THR 18 Ca 0.23 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2kkp h THR 18 Cb 0.23 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2kkp h THR 18 CO -0.23 0.28 -0.08 -0.78 0.37 0.00 0.00 175.52 175.08 2kkp h ASP 19 N 0.00 -0.18 0.73 4.18 1.82 0.38 -3.33 116.42 120.01 2kkp h ASP 19 Ca -0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kkp h ASP 19 Cb 0.65 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2kkp h ASP 19 CO 0.04 0.26 0.00 0.00 -1.61 0.00 0.00 179.24 177.92 2kkp n TYR 20 N -4.75 0.02 0.03 0.28 4.11 -0.75 -2.80 117.16 113.29 2kkp n TYR 20 Ca -0.03 0.01 -0.10 0.00 -0.00 0.00 0.00 57.90 57.78 2kkp n TYR 20 Cb 0.09 -0.51 -0.04 0.00 -0.00 0.00 0.00 39.34 38.88 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kkp h ALA 21 N 2.72 -0.09 -1.83 -3.48 0.00 -1.59 -3.49 119.26 111.50 2kkp h ALA 21 Ca 0.00 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.13 2kkp h ALA 21 Cb 0.37 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2kkp h ALA 21 CO 0.00 -0.60 -0.59 1.63 0.00 0.00 0.00 179.25 179.69 2kkp n LYS 22 N -5.26 -1.72 -1.89 0.00 5.02 -1.12 -4.86 118.16 108.33 2kkp n LYS 22 Ca -0.04 1.36 -0.30 0.00 -2.02 0.00 0.00 58.31 57.31 2kkp n LYS 22 Cb 0.18 -2.03 0.20 0.00 -0.02 0.00 0.00 35.03 33.36 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kkp s PRO 23 N -3.24 0.44 2.33 1.97 0.02 -1.26 -4.71 135.00 130.55 2kkp s PRO 23 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 61.00 60.59 2kkp s PRO 23 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2kkp s PRO 23 CO 0.00 -2.55 0.00 0.72 -0.33 0.00 0.00 177.00 174.84 2kkp n HIS 24 N -3.85 0.00 -3.81 6.54 8.25 -1.26 -4.84 115.22 116.24 2kkp n HIS 24 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 2kkp n HIS 24 Cb 0.59 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 2kkp n HIS 24 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2kkp n LEU 25 N 0.00 -0.64 0.25 2.41 -0.00 -1.26 -4.78 117.00 112.99 2kkp n LEU 25 Ca 0.00 -0.95 0.14 0.00 -0.00 0.00 0.00 56.01 55.20 2kkp n LEU 25 Cb 0.00 -1.21 0.57 0.00 -0.00 0.00 0.00 43.42 42.78 2kkp n LEU 25 CO 0.00 0.09 0.91 -0.09 -0.00 0.00 0.00 177.39 178.30 2kkp h ARG 26 N -0.69 0.00 -0.17 1.47 1.12 -2.00 -2.84 114.38 111.27 2kkp h ARG 26 Ca -0.46 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.40 2kkp h ARG 26 Cb 1.05 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 2kkp h ARG 26 CO 0.67 0.10 0.04 1.96 -3.11 0.00 0.00 179.97 179.63 2kkp h GLN 27 N 0.00 0.24 -1.87 0.20 7.50 -2.01 -3.48 115.11 115.69 2kkp h GLN 27 Ca -0.00 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.21 2kkp h GLN 27 Cb 0.62 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.06 2kkp h GLN 27 CO 0.01 0.23 -0.58 0.45 -1.50 0.00 0.00 178.83 177.44 2kkp n SER 28 N -4.43 -4.20 0.00 1.46 2.88 -1.07 -5.07 113.62 103.18 2kkp n SER 28 Ca -0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2kkp n SER 28 Cb 0.14 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.26 2kkp n SER 28 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2kkp n THR 29 N -2.62 0.00 -2.31 2.46 5.66 -1.26 -5.14 114.28 111.08 2kkp n THR 29 Ca -0.02 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2kkp n THR 29 Cb 0.30 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.08 2kkp n THR 29 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2kkp n TRP 30 N -2.15 -4.58 -4.25 1.09 -0.00 -1.26 -5.05 117.44 101.24 2kkp n TRP 30 Ca 0.00 2.72 -0.25 0.00 -0.00 0.00 0.00 57.50 59.97 2kkp n TRP 30 Cb 0.00 -3.77 -0.07 0.00 -0.00 0.00 0.00 31.31 27.47 2kkp n TRP 30 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 2kkp s GLU 31 N -0.70 2.36 0.00 5.87 2.02 -1.26 -5.02 118.70 121.98 2kkp s GLU 31 Ca -0.02 -1.26 0.24 0.00 0.02 0.00 0.00 54.97 53.94 2kkp s GLU 31 Cb 0.00 -2.26 0.25 0.00 0.10 0.00 0.00 34.13 32.22 2kkp s GLU 31 CO 0.07 0.41 1.24 0.43 0.02 0.00 0.00 175.26 177.42 2kkp n SER 32 N -0.54 0.98 -0.26 -0.19 7.64 -1.26 -4.59 113.62 115.41 2kkp n SER 32 Ca -0.08 -0.79 -0.05 0.00 1.01 0.00 0.00 58.87 58.96 2kkp n SER 32 Cb 0.57 0.49 0.06 0.00 -1.01 0.00 0.00 64.21 64.32 2kkp n SER 32 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2kkp h TYR 33 N 0.60 0.90 0.07 1.43 0.05 -1.99 0.92 116.97 118.95 2kkp h TYR 33 Ca 0.00 0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.53 2kkp h TYR 33 Cb 0.54 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2kkp h TYR 33 CO 0.00 0.57 -1.29 1.05 -1.05 0.00 0.00 178.16 177.44 2kkp h GLU 34 N 0.97 0.16 0.33 4.88 9.09 -2.00 -3.05 114.58 124.96 2kkp h GLU 34 Ca 0.26 -0.27 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2kkp h GLU 34 Cb -0.11 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2kkp h GLU 34 CO -0.06 1.05 -0.16 1.15 0.05 0.00 0.00 179.01 181.05 2kkp h THR 35 N 0.04 0.69 -0.03 -1.06 2.02 -1.69 -2.02 112.91 110.86 2kkp h THR 35 Ca -0.14 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 2kkp h THR 35 Cb 1.93 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2kkp h THR 35 CO 0.16 0.07 -0.29 -0.37 0.37 0.00 0.00 175.52 175.45 2kkp h VAL 36 N -0.64 1.23 0.35 3.16 -1.51 -0.97 -2.03 116.25 115.83 2kkp h VAL 36 Ca -0.05 -1.07 -0.02 0.00 -1.23 0.00 0.00 66.70 64.34 2kkp h VAL 36 Cb 0.46 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2kkp h VAL 36 CO 0.08 0.31 -0.17 0.25 -1.23 0.00 0.00 177.57 176.81 2kkp h LEU 37 N 0.05 -0.40 -0.68 4.19 5.85 -1.40 -2.26 115.31 120.66 2kkp h LEU 37 Ca 0.01 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2kkp h LEU 37 Cb 0.55 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2kkp h LEU 37 CO 0.04 -0.22 -0.28 0.08 -0.34 0.00 0.00 178.44 177.73 2kkp h ARG 38 N -0.60 0.72 -0.16 1.25 0.11 -1.41 -1.22 114.38 113.07 2kkp h ARG 38 Ca -0.05 -0.31 -0.10 0.00 0.10 0.00 0.00 59.98 59.62 2kkp h ARG 38 Cb 0.36 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2kkp h ARG 38 CO 0.08 0.92 -0.35 1.25 0.10 0.00 0.00 179.97 181.96 2kkp h LEU 39 N 0.62 0.35 0.01 0.08 6.46 -1.47 -2.90 115.31 118.46 2kkp h LEU 39 Ca 0.08 -0.14 -0.36 0.00 -0.12 0.00 0.00 57.88 57.34 2kkp h LEU 39 Cb 0.78 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2kkp h LEU 39 CO 0.06 0.68 -2.00 1.57 -0.62 0.00 0.00 178.44 178.14 2kkp n HIS 40 N -4.07 0.51 0.10 1.25 -0.00 -0.85 -4.62 115.22 107.54 2kkp n HIS 40 Ca -0.01 0.20 0.11 0.00 0.46 0.00 0.00 57.72 58.47 2kkp n HIS 40 Cb 0.45 -1.05 -0.16 0.00 -0.12 0.00 0.00 29.99 29.11 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2kkp n VAL 41 N -4.17 0.00 -0.04 3.57 3.14 -0.48 -4.26 118.33 116.09 2kkp n VAL 41 Ca -0.43 -0.43 -0.13 0.00 -2.96 0.00 0.00 64.34 60.38 2kkp n VAL 41 Cb 0.83 0.12 -0.08 0.00 -1.06 0.00 0.00 33.84 33.65 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2kkp h ILE 42 N 0.00 1.35 0.00 1.55 5.03 -1.58 0.23 117.51 124.10 2kkp h ILE 42 Ca 0.00 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.52 2kkp h ILE 42 Cb 0.92 1.93 0.00 0.00 -3.03 0.00 0.00 36.82 36.64 2kkp h ILE 42 CO 0.00 0.35 0.00 -0.81 -0.68 0.00 0.00 178.15 177.01 2kkp n PRO 43 N -4.66 0.31 -0.01 2.37 -0.04 -1.26 -1.67 135.00 130.05 2kkp n PRO 43 Ca -0.07 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 2kkp n PRO 43 Cb 0.32 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kkp n THR 44 N -1.26 0.42 -0.17 0.52 -2.24 -1.12 -4.82 114.28 105.61 2kkp n THR 44 Ca 0.10 0.28 0.07 0.00 -2.27 0.00 0.00 64.05 62.23 2kkp n THR 44 Cb 0.15 -1.52 0.19 0.00 -2.10 0.00 0.00 70.33 67.05 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkp n LEU 45 N -2.98 3.16 0.28 3.22 4.32 0.72 -4.52 117.00 121.19 2kkp n LEU 45 Ca -0.03 -1.93 0.14 0.00 -0.02 0.00 0.00 56.01 54.18 2kkp n LEU 45 Cb 0.09 -0.28 0.81 0.00 -1.62 0.00 0.00 43.42 42.42 2kkp n LEU 45 CO 0.04 0.78 1.02 1.23 -1.22 0.00 0.00 177.39 179.24 2kkp h GLY 46 N 2.70 0.00 -2.93 -0.72 0.00 -0.38 -1.43 103.07 100.31 2kkp h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkp h GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2kkp n SER 47 N -3.58 4.58 -4.50 0.19 7.64 -1.26 -0.29 113.62 116.40 2kkp n SER 47 Ca -0.02 -2.66 -0.35 0.00 1.01 0.00 0.00 58.87 56.85 2kkp n SER 47 Cb 0.20 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.66 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kkp s ILE 48 N -2.27 4.26 0.49 0.44 1.01 -0.54 -4.99 121.20 119.60 2kkp s ILE 48 Ca 0.43 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.63 2kkp s ILE 48 Cb 0.32 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 2kkp s ILE 48 CO 0.14 0.42 1.37 -2.16 0.00 0.00 0.00 174.94 174.71 2kkp s PRO 49 N 0.94 3.46 0.43 2.79 0.04 -1.26 -4.60 135.00 136.79 2kkp s PRO 49 Ca 0.02 2.28 0.21 0.00 0.04 0.00 0.00 61.00 63.56 2kkp s PRO 49 Cb -0.14 -2.47 0.93 0.00 0.04 0.00 0.00 34.50 32.86 2kkp s PRO 49 CO 0.02 -0.95 1.85 -0.07 0.04 0.00 0.00 177.00 177.89 2kkp h LEU 50 N 1.94 0.00 0.00 -3.56 3.38 -1.95 -0.82 115.31 114.30 2kkp h LEU 50 Ca -0.51 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 2kkp h LEU 50 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2kkp h LEU 50 CO 0.59 0.28 -0.95 0.11 0.09 0.00 0.00 178.44 178.56 2kkp h LYS 51 N 0.00 0.00 0.00 1.13 6.56 -1.92 -3.20 116.57 119.14 2kkp h LYS 51 Ca -0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 2kkp h LYS 51 Cb 0.70 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 2kkp h LYS 51 CO 0.04 0.54 -0.22 -0.22 -2.06 0.00 0.00 179.45 177.53 2kkp h LYS 52 N 0.00 0.00 -5.80 3.15 3.11 -1.76 -3.44 116.57 111.83 2kkp h LYS 52 Ca -0.07 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 57.21 2kkp h LYS 52 Cb 1.57 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.79 2kkp h LYS 52 CO 0.07 0.22 1.55 -0.11 -2.81 0.00 0.00 179.45 178.37 2kkp n LEU 53 N -3.17 2.57 -4.93 5.20 -0.00 -0.38 -4.95 117.00 111.34 2kkp n LEU 53 Ca 0.03 -0.01 -0.26 0.00 -0.00 0.00 0.00 56.01 55.77 2kkp n LEU 53 Cb 0.60 -1.48 -0.02 0.00 -0.00 0.00 0.00 43.42 42.52 2kkp n LEU 53 CO 0.36 -1.01 0.18 -1.10 -0.00 0.00 0.00 177.39 175.82 2kkp s GLN 54 N 7.16 3.53 0.58 1.96 -0.21 -1.26 -4.96 119.66 126.46 2kkp s GLN 54 Ca 1.03 -0.22 0.27 0.00 0.02 0.00 0.00 55.36 56.47 2kkp s GLN 54 Cb -0.42 -2.67 1.73 0.00 1.00 0.00 0.00 33.01 32.65 2kkp s GLN 54 CO 0.35 0.18 2.24 -1.00 -2.12 0.00 0.00 175.29 174.94 2kkp h PRO 55 N 1.12 0.00 -0.05 2.91 0.13 -1.92 -0.80 132.00 133.40 2kkp h PRO 55 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2kkp h PRO 55 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kkp h PRO 55 CO 0.63 0.00 -0.49 0.00 -0.23 0.00 0.00 178.00 177.92 2kkp h ALA 56 N 2.00 1.09 -0.19 -0.56 0.00 -1.90 -0.74 119.26 118.97 2kkp h ALA 56 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2kkp h ALA 56 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kkp h ALA 56 CO -0.00 0.63 -0.57 -0.44 0.00 0.00 0.00 179.25 178.88 2kkp h ASP 57 N 0.10 0.64 -0.54 0.00 3.32 -1.53 0.14 116.42 118.55 2kkp h ASP 57 Ca 0.00 -0.35 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 2kkp h ASP 57 Cb 0.90 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2kkp h ASP 57 CO 0.07 1.07 -0.12 0.40 -1.72 0.00 0.00 179.24 178.95 2kkp h ILE 58 N 0.44 1.27 -0.63 0.35 2.04 -1.27 0.26 117.51 119.97 2kkp h ILE 58 Ca 0.00 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2kkp h ILE 58 Cb 1.12 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2kkp h ILE 58 CO 0.11 0.45 0.40 -0.61 0.00 0.00 0.00 178.15 178.50 2kkp h GLN 59 N 0.90 0.78 -0.72 2.37 -0.00 -0.92 -1.97 115.11 115.55 2kkp h GLN 59 Ca 0.14 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.77 2kkp h GLN 59 Cb 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 2kkp h GLN 59 CO 0.05 0.52 0.46 -0.09 0.00 0.00 0.00 178.83 179.76 2kkp h ARG 60 N 0.80 0.87 -0.51 1.69 2.43 -0.35 -0.30 114.38 119.01 2kkp h ARG 60 Ca 0.24 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 2kkp h ARG 60 Cb -0.04 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.25 2kkp h ARG 60 CO -0.08 0.57 0.15 1.25 -1.51 0.00 0.00 179.97 180.36 2kkp h LEU 61 N 0.89 0.11 -0.25 3.80 7.12 -0.31 0.31 115.31 126.99 2kkp h LEU 61 Ca 0.29 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.34 2kkp h LEU 61 Cb 0.01 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 2kkp h LEU 61 CO -0.11 0.09 0.04 1.88 -0.13 0.00 0.00 178.44 180.22 2kkp h TYR 62 N 0.31 0.43 0.17 1.25 0.05 -0.76 -1.96 116.97 116.47 2kkp h TYR 62 Ca 0.25 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 2kkp h TYR 62 Cb 0.30 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2kkp h TYR 62 CO -0.19 0.52 -0.08 0.00 -1.05 0.00 0.00 178.16 177.36 2kkp h ALA 63 N 0.86 -0.23 0.00 3.88 0.00 -0.54 0.29 119.26 123.53 2kkp h ALA 63 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kkp h ALA 63 Cb 0.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kkp h ALA 63 CO 0.00 -0.55 0.00 0.77 0.00 0.00 0.00 179.25 179.48 2kkp h SER 64 N -0.40 0.00 0.14 0.00 0.02 -0.44 -0.95 113.55 111.92 2kkp h SER 64 Ca -0.02 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.63 2kkp h SER 64 Cb 0.31 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 2kkp h SER 64 CO 0.04 0.00 -2.16 0.29 -1.14 0.00 0.00 176.83 173.86 2kkp n LYS 65 N -2.65 0.67 -0.10 3.45 4.76 -0.74 -3.79 118.16 119.77 2kkp n LYS 65 Ca 0.01 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.47 2kkp n LYS 65 Cb 0.25 -1.59 0.22 0.00 -1.84 0.00 0.00 35.03 32.08 2kkp n LYS 65 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2kkp h LEU 66 N 0.00 0.70 -1.82 -0.35 5.85 -0.04 -1.53 115.31 118.12 2kkp h LEU 66 Ca -0.41 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.29 2kkp h LEU 66 Cb 2.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 2kkp h LEU 66 CO 0.04 0.70 0.34 -0.08 -0.34 0.00 0.00 178.44 179.09 2kkp h GLU 67 N 0.72 0.20 0.00 1.25 4.81 -1.32 -0.57 114.58 119.68 2kkp h GLU 67 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kkp h GLU 67 Cb 0.29 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kkp h GLU 67 CO -0.00 0.13 0.00 0.43 -0.73 0.00 0.00 179.01 178.84 2kkp n SER 68 N -4.45 0.00 -0.08 1.04 7.64 -0.58 -4.85 113.62 112.34 2kkp n SER 68 Ca 0.08 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2kkp n SER 68 Cb 0.41 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 69 N 0.93 1.23 3.71 0.23 0.00 -0.23 -5.06 105.19 106.00 2kkp n GLY 69 Ca 0.14 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2kkp n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kkp s LEU 70 N -0.16 4.35 0.15 0.99 1.98 -1.16 -4.98 118.68 119.84 2kkp s LEU 70 Ca 0.00 1.83 -0.31 0.00 -2.89 0.00 0.00 54.13 52.75 2kkp s LEU 70 Cb 0.00 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 43.18 2kkp s LEU 70 CO 0.00 -0.41 1.66 -0.44 -1.89 0.00 0.00 176.35 175.26 2kkp s SER 71 N 1.11 6.52 0.39 3.68 0.01 -1.26 -4.82 113.70 119.33 2kkp s SER 71 Ca 0.55 2.67 0.17 0.00 1.31 0.00 0.00 55.95 60.65 2kkp s SER 71 Cb -0.25 -2.59 1.06 0.00 0.21 0.00 0.00 66.02 64.45 2kkp s SER 71 CO 0.27 -0.90 1.78 -0.65 0.41 0.00 0.00 173.24 174.15 2kkp h PRO 72 N 7.34 0.42 -0.72 12.44 0.11 -1.98 0.15 132.00 149.76 2kkp h PRO 72 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2kkp h PRO 72 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2kkp h PRO 72 CO 0.93 0.28 0.30 1.79 -0.21 0.00 0.00 178.00 181.09 2kkp h THR 73 N 0.44 1.25 0.00 -1.15 1.35 -1.99 -0.26 112.91 112.55 2kkp h THR 73 Ca 0.58 -0.76 -0.17 0.00 -0.55 0.00 0.00 66.41 65.51 2kkp h THR 73 Cb 1.40 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2kkp h THR 73 CO -0.30 0.31 -0.89 -0.09 -0.25 0.00 0.00 175.52 174.30 2kkp h ARG 74 N 1.03 0.00 -0.75 4.72 2.43 -1.24 -0.96 114.38 119.61 2kkp h ARG 74 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2kkp h ARG 74 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2kkp h ARG 74 CO -0.02 0.69 0.48 0.28 -1.51 0.00 0.00 179.97 179.89 2kkp h VAL 75 N 0.00 1.20 -0.15 0.20 2.07 -0.55 0.36 116.25 119.38 2kkp h VAL 75 Ca -0.04 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 2kkp h VAL 75 Cb 1.61 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2kkp h VAL 75 CO 0.09 0.20 -0.43 -0.09 0.02 0.00 0.00 177.57 177.36 2kkp h ARG 76 N 1.02 0.35 -0.19 1.57 2.43 -0.94 0.59 114.38 119.22 2kkp h ARG 76 Ca 0.27 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2kkp h ARG 76 Cb -0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2kkp h ARG 76 CO -0.06 0.72 0.06 -0.92 -1.51 0.00 0.00 179.97 178.26 2kkp h TYR 77 N 0.29 0.31 -0.48 2.20 5.03 -0.45 -1.11 116.97 122.76 2kkp h TYR 77 Ca 0.02 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 2kkp h TYR 77 Cb 0.88 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 2kkp h TYR 77 CO 0.02 0.40 0.21 0.82 -1.32 0.00 0.00 178.16 178.29 2kkp h ILE 78 N 0.13 1.17 -0.55 1.81 1.08 -0.17 -1.06 117.51 119.92 2kkp h ILE 78 Ca 0.06 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2kkp h ILE 78 Cb 0.24 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 2kkp h ILE 78 CO -0.00 0.21 0.36 -0.74 -0.69 0.00 0.00 178.15 177.28 2kkp h HIS 79 N 0.68 0.70 0.21 1.37 2.76 -0.34 0.24 115.15 120.78 2kkp h HIS 79 Ca 0.17 0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 58.03 2kkp h HIS 79 Cb 0.11 -0.24 0.03 0.00 1.55 0.00 0.00 27.41 28.87 2kkp h HIS 79 CO 0.01 0.45 -1.40 -0.39 -1.30 0.00 0.00 177.93 175.30 2kkp h VAL 80 N 0.75 1.32 -0.34 5.26 -1.51 -0.91 -2.25 116.25 118.57 2kkp h VAL 80 Ca 0.20 -2.72 -0.14 0.00 -1.23 0.00 0.00 66.70 62.81 2kkp h VAL 80 Cb -0.07 2.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2kkp h VAL 80 CO -0.04 0.81 -0.36 1.62 -1.23 0.00 0.00 177.57 178.37 2kkp h VAL 81 N 0.16 1.28 -0.10 7.19 3.04 -1.15 -2.59 116.25 124.07 2kkp h VAL 81 Ca -0.22 -1.52 -0.13 0.00 -1.01 0.00 0.00 66.70 63.82 2kkp h VAL 81 Cb 2.09 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 2kkp h VAL 81 CO 0.26 0.50 -0.51 0.25 -1.01 0.00 0.00 177.57 177.06 2kkp h LEU 82 N 0.64 0.31 -0.09 3.16 5.85 -1.03 0.30 115.31 124.44 2kkp h LEU 82 Ca 0.06 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2kkp h LEU 82 Cb 0.90 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 2kkp h LEU 82 CO 0.08 0.77 -0.27 0.45 -0.34 0.00 0.00 178.44 179.13 2kkp h HIS 83 N 0.22 -0.72 0.09 1.25 3.86 -1.03 0.79 115.15 119.60 2kkp h HIS 83 Ca 0.01 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 58.96 2kkp h HIS 83 Cb 0.98 0.33 0.02 0.00 1.06 0.00 0.00 27.41 29.80 2kkp h HIS 83 CO 0.02 -0.35 -1.18 1.05 0.86 0.00 0.00 177.93 178.33 2kkp h GLU 84 N -0.36 0.58 -0.63 2.45 4.11 -1.39 -2.63 114.58 116.71 2kkp h GLU 84 Ca 0.09 -0.74 -0.03 0.00 0.07 0.00 0.00 59.36 58.75 2kkp h GLU 84 Cb 0.49 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2kkp h GLU 84 CO -0.30 1.32 0.28 0.00 0.07 0.00 0.00 179.01 180.39 2kkp h ALA 85 N 0.39 0.81 -0.01 1.06 0.00 -0.81 -1.59 119.26 119.12 2kkp h ALA 85 Ca -0.16 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2kkp h ALA 85 Cb 1.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2kkp h ALA 85 CO 0.22 0.40 -0.61 1.98 0.00 0.00 0.00 179.25 181.24 2kkp h MET 86 N 0.87 0.04 -0.06 0.00 1.85 -0.92 -2.83 114.93 113.88 2kkp h MET 86 Ca 0.21 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.21 2kkp h MET 86 Cb 0.16 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 2kkp h MET 86 CO -0.02 0.63 -0.26 1.03 -0.40 0.00 0.00 176.91 177.89 2kkp h SER 87 N 0.03 0.10 -0.93 1.39 0.87 -1.01 -1.84 113.55 112.15 2kkp h SER 87 Ca -0.01 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2kkp h SER 87 Cb 1.08 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 2kkp h SER 87 CO 0.08 0.36 0.61 1.56 -0.53 0.00 0.00 176.83 178.92 2kkp h GLN 88 N 0.10 1.17 -0.57 2.24 4.20 -1.04 0.60 115.11 121.81 2kkp h GLN 88 Ca 0.02 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2kkp h GLN 88 Cb 0.51 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2kkp h GLN 88 CO 0.04 0.78 0.06 0.00 -0.67 0.00 0.00 178.83 179.03 2kkp h ALA 89 N 1.44 0.76 0.19 3.87 0.00 -1.39 0.08 119.26 124.21 2kkp h ALA 89 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kkp h ALA 89 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2kkp h ALA 89 CO -0.10 0.53 -0.12 -0.09 0.00 0.00 0.00 179.25 179.48 2kkp h ARG 90 N 0.85 -0.30 0.00 0.00 2.43 -1.03 -2.34 114.38 113.99 2kkp h ARG 90 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2kkp h ARG 90 Cb 0.46 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2kkp h ARG 90 CO 0.02 -0.20 0.00 0.39 -1.51 0.00 0.00 179.97 178.67 2kkp n GLU 91 N -5.24 0.86 0.00 0.20 1.02 0.14 -1.23 120.64 116.38 2kkp n GLU 91 Ca -0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2kkp n GLU 91 Cb 0.16 -1.40 0.19 0.00 -0.02 0.00 0.00 31.44 30.37 2kkp n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkp n SER 92 N -0.90 0.83 0.00 1.62 2.88 0.00 -4.95 113.62 113.10 2kkp n SER 92 Ca 0.17 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 2kkp n SER 92 Cb 0.08 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 93 N 1.46 1.17 0.06 0.46 0.00 -0.37 -4.88 105.19 103.10 2kkp n GLY 93 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2kkp n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkp n LEU 94 N 0.00 0.52 -4.00 0.99 -0.00 -1.13 -4.78 117.00 108.60 2kkp n LEU 94 Ca 0.00 0.03 -0.20 0.00 -0.00 0.00 0.00 56.01 55.83 2kkp n LEU 94 Cb 0.00 -0.25 -0.16 0.00 -0.00 0.00 0.00 43.42 43.01 2kkp n LEU 94 CO 0.00 0.11 -0.44 -0.22 -0.00 0.00 0.00 177.39 176.84 2kkp s LEU 95 N -2.82 1.77 0.13 1.47 2.96 -1.12 -4.94 118.68 116.13 2kkp s LEU 95 Ca 0.17 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2kkp s LEU 95 Cb 0.18 -0.56 -0.12 0.00 0.50 0.00 0.00 46.19 46.19 2kkp s LEU 95 CO 0.60 0.06 1.30 0.17 -1.32 0.00 0.00 176.35 177.17 2kkp h LEU 96 N 6.43 0.18 0.00 -0.68 -0.00 -1.86 -3.39 115.31 115.98 2kkp h LEU 96 Ca -0.33 -0.17 -0.17 0.00 -0.00 0.00 0.00 57.88 57.21 2kkp h LEU 96 Cb 1.17 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.73 2kkp h LEU 96 CO 0.49 1.06 -0.12 0.00 -0.00 0.00 0.00 178.44 179.87 2kkp n GLN 97 N -3.52 0.30 -3.84 0.17 10.64 -1.26 -5.08 117.38 114.79 2kkp n GLN 97 Ca -0.03 -1.44 -0.35 0.00 -1.83 0.00 0.00 57.00 53.35 2kkp n GLN 97 Cb 0.89 1.32 -0.12 0.00 -0.86 0.00 0.00 30.24 31.47 2kkp n GLN 97 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kkp s ASN 98 N -2.08 5.13 0.23 2.61 2.20 -1.26 -4.70 114.94 117.07 2kkp s ASN 98 Ca 0.16 -2.04 0.22 0.00 -0.94 0.00 0.00 52.86 50.26 2kkp s ASN 98 Cb -0.00 -1.78 0.95 0.00 -2.00 0.00 0.00 41.25 38.42 2kkp s ASN 98 CO 0.11 -0.50 1.68 -2.65 -2.94 0.00 0.00 177.10 172.80 2kkp n PRO 99 N 4.51 0.17 0.00 3.55 -0.02 -1.26 -2.91 135.00 139.04 2kkp n PRO 99 Ca -0.01 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2kkp n PRO 99 Cb 0.42 -1.84 0.26 0.00 -0.02 0.00 0.00 33.50 32.32 2kkp n PRO 99 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2kkp h THR 100 N 0.00 1.22 0.00 3.45 1.35 -1.91 -2.37 112.91 114.65 2kkp h THR 100 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2kkp h THR 100 Cb 0.33 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2kkp h THR 100 CO 0.00 0.32 0.00 -0.33 -0.25 0.00 0.00 175.52 175.26 2kkp h GLU 101 N 0.48 0.00 -0.33 4.72 4.39 -1.91 -2.03 114.58 119.91 2kkp h GLU 101 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2kkp h GLU 101 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kkp h GLU 101 CO 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.87 2kkp n ALA 102 N -2.08 2.40 -3.06 3.43 0.00 -0.93 -4.82 120.51 115.46 2kkp n ALA 102 Ca 0.01 -0.95 -0.44 0.00 0.00 0.00 0.00 53.44 52.05 2kkp n ALA 102 Cb 0.32 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -1.39 3.36 -0.03 0.00 0.00 -0.76 -4.84 121.76 118.10 2kkp s ALA 103 Ca 0.33 -2.18 0.07 0.00 0.00 0.00 0.00 51.96 50.19 2kkp s ALA 103 Cb 0.20 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2kkp s ALA 103 CO 0.28 -2.46 -0.25 -1.59 0.00 0.00 0.00 175.76 171.74 2kkp s LYS 104 N 2.93 2.23 0.44 0.00 -2.85 -1.26 -5.00 119.74 116.23 2kkp s LYS 104 Ca 0.14 -0.91 -0.25 0.00 -1.00 0.00 0.00 55.97 53.95 2kkp s LYS 104 Cb -0.22 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.41 2kkp s LYS 104 CO 0.06 0.50 1.36 -1.25 0.10 0.00 0.00 175.35 176.12 2kkp s PRO 105 N -0.46 3.77 -0.75 1.78 0.04 -1.26 -4.89 135.00 133.23 2kkp s PRO 105 Ca 0.06 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.10 2kkp s PRO 105 Cb -0.11 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2kkp s PRO 105 CO 0.00 -0.69 1.91 -1.25 0.04 0.00 0.00 177.00 177.01 2kkp s PRO 106 N -2.40 2.59 -0.09 0.56 0.04 -1.26 -4.79 135.00 129.64 2kkp s PRO 106 Ca 0.60 0.18 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 2kkp s PRO 106 Cb -0.40 -4.71 -0.28 0.00 0.04 0.00 0.00 34.50 29.15 2kkp s PRO 106 CO 0.51 -3.05 0.85 0.00 0.04 0.00 0.00 177.00 175.35 2kkp h ARG 107 N 13.21 0.13 -2.27 4.56 2.47 -2.06 -3.42 114.38 127.00 2kkp h ARG 107 Ca -0.09 -0.22 -0.58 0.00 -1.26 0.00 0.00 59.98 57.83 2kkp h ARG 107 Cb 1.09 0.08 -0.38 0.00 -1.65 0.00 0.00 29.97 29.10 2kkp h ARG 107 CO 1.21 1.08 -1.01 1.58 0.56 0.00 0.00 179.97 183.40 2kkp n HIS 108 N -4.41 -0.71 -1.49 3.04 -0.00 -1.26 -5.12 115.22 105.27 2kkp n HIS 108 Ca -0.11 -3.39 0.00 0.00 0.46 0.00 0.00 57.72 54.68 2kkp n HIS 108 Cb 0.61 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 2kkp n HIS 108 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kkp n PRO 109 N 2.43 2.95 -4.31 1.57 -0.04 -1.26 -5.11 135.00 131.23 2kkp n PRO 109 Ca 0.27 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 2kkp n PRO 109 Cb 0.49 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 2kkp n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkp s LEU 110 N 0.00 3.50 -1.12 1.53 2.01 -1.26 -5.04 118.68 118.30 2kkp s LEU 110 Ca 0.00 0.03 -0.21 0.00 0.01 0.00 0.00 54.13 53.96 2kkp s LEU 110 Cb 0.00 -1.83 0.06 0.00 0.01 0.00 0.00 46.19 44.42 2kkp s LEU 110 CO 0.00 0.26 1.56 -1.61 1.01 0.00 0.00 176.35 177.56 2kkp s GLU 111 N -0.17 3.73 0.00 1.70 2.02 -1.26 -4.38 118.70 120.34 2kkp s GLU 111 Ca 0.05 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.61 2kkp s GLU 111 Cb -0.13 -5.42 0.00 0.00 0.10 0.00 0.00 34.13 28.68 2kkp s GLU 111 CO 0.02 -2.23 0.00 1.58 0.02 0.00 0.00 175.26 174.65 2kkp n HIS 112 N 8.74 0.00 -2.87 1.61 -0.00 -1.26 -5.10 115.22 116.34 2kkp n HIS 112 Ca 0.39 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.50 2kkp n HIS 112 Cb 0.49 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.37 2kkp n HIS 112 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kkp n HIS 113 N -0.56 -3.46 -2.04 1.57 8.25 -1.26 -4.84 115.22 112.87 2kkp n HIS 113 Ca 0.00 1.46 -0.41 0.00 -0.26 0.00 0.00 57.72 58.51 2kkp n HIS 113 Cb 0.00 -3.76 -0.03 0.00 1.12 0.00 0.00 29.99 27.33 2kkp n HIS 113 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kkp s HIS 114 N -2.09 1.81 -0.26 4.41 -3.43 -1.26 -4.94 115.29 109.54 2kkp s HIS 114 Ca 0.16 0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 54.82 2kkp s HIS 114 Cb -0.04 -4.13 -0.01 0.00 -1.43 0.00 0.00 32.58 26.98 2kkp s HIS 114 CO 0.75 -2.63 1.35 -1.58 -2.00 0.00 0.00 174.74 170.63 2kkp s HIS 115 N 7.52 2.61 0.00 0.38 2.46 -1.26 -4.62 115.29 122.38 2kkp s HIS 115 Ca 0.74 0.83 0.00 0.00 0.47 0.00 0.00 55.06 57.10 2kkp s HIS 115 Cb -0.18 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 2kkp s HIS 115 CO 0.29 -1.93 0.00 1.58 -2.47 0.00 0.00 174.74 172.21 2kkp n HIS 116 N 7.58 -0.37 -0.68 3.88 -0.00 -1.26 -5.33 115.22 119.05 2kkp n HIS 116 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2kkp n HIS 116 Cb 0.46 0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 2kkp n HIS 116 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95